H-Cys(bzl)-gly-OH
Basic information
- CAS
7669-84-3- Standard SMILES
N[C@@H](CSCc1ccccc1)C(=O)NCC(=O)O- InChIKey
JBOHJUDJUVTRCF-JTQLQIEISA-N- Molecular formula
- C12H16N2O3S
- Average molar mass
- 268.33 g/mol
- Monoisotopic mass
- 268.08816355
Names & identifiers
- Preferred name
- H-Cys(bzl)-gly-OH
- IUPAC
- 2-[[(2R)-2-amino-3-benzylsulfanylpropanoyl]amino]acetic acid
- English name
- H-Cys(Bzl)-Gly-OH
- Molecular formula
- C12H16N2O3S
- Molecular weight
- 268.33
Names & synonyms
H-CYS(BZL)-GLY-OH7669-84-3SCHEMBL3503447Glycine, N-[S-(phenylmethyl)-L-cysteinyl]-2-[[(2R)-2-amino-3-benzylsulfanylpropanoyl]amino]acetic acidS-ben-zyl-l-cysteinyl-glycine7669-84-3(free base)CHEMBL3275653DTXSID80427059H-Cys(Bzl)-Gly-OH trifluoroacetic acidFC107945(R)-2-(2-Amino-3-(benzylthio)propanamido)acetic acid
Show more names
S-BENZYL-L-CYSTEINYL-GLYCINEGlycine, S-(phenylmethyl)-L-cysteinyl-
Database identifiers
- CAS
7669-84-3- PubChem CID
- 7019043
- DTXSID
DTXSID80427059- ChEMBL
CHEMBL3275653- Nikkaji
- J1.650.201D
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Melting point
- 166 · 166-167 °C(Solv: water (7732-18-5))
- Boiling point
- 546 · 546.0±50.0 °C(Predicted)
- Density
- 1.297 · 1.297±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 3.06 · 3.06±0.10(Predicted)
Chemistry & industry
Applications
UsesH-Cys(Bzl)-Gly-Oh is a useful research chemical used in the preparation of Glutaryl-S-(p-bromobenzyl)-L-cysteinylglycine as a metabolically stable inhibitor of glyoxalase I.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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